1-(Benzo[d][1,3]dioxol-4-yl)piperazine

Base Information

• Chemical Name: 1-(Benzo[d][1,3]dioxol-4-yl)piperazine
• CAS No.: 98224-27-2
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.244
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10453447
• Wikidata: Q82274590
• Mol file: 98224-27-2.mol

Synonyms:1-(Benzo[d][1,3]dioxol-4-yl)piperazine;98224-27-2;1-benzo[1,3]dioxol-4-yl-piperazine;1-(1,3-benzodioxol-4-yl)piperazine;SCHEMBL6266386;DTXSID10453447;ZJQCWMJADIGRBU-UHFFFAOYSA-N;FT-0726075;1-(2H-1,3-BENZODIOXOL-4-YL)PIPERAZINE

Chemical Property of 1-(Benzo[d][1,3]dioxol-4-yl)piperazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 367.304oC at 760 mmHg
• Flash Point: 175.939oC
• PSA: 33.73000
• Density: 1.221g/cm3
• LogP: 1.21870
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

1-(Benzo[d][1,3]dioxol-4-yl)piperazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C3C(=CC=C2)OCO3

Technology Process of 1-(Benzo[d][1,3]dioxol-4-yl)piperazine

There total 3 articles about 1-(Benzo[d][1,3]dioxol-4-yl)piperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-nitrobenzene-1,2-diol (6665-98-1) → 1-(1,3-benzodioxol-4-yl)piperazine (98224-27-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 40 percent / K₂CO₃; tetrabutylammonium bromide / toluene / 24 h / Heating

2: 90 percent / Ni-Ra; hydrazine monohydrate / methanol / 0 °C

3: chlorobenzene / 24 h / Heating

With tetrabutylammomium bromide; potassium carbonate; hydrazine hydrate; In methanol; chlorobenzene; toluene;

DOI:10.1021/jm0111200

Reference yield:

4-nitro-(1,3-benzodioxolyl) (72744-45-7) → 1-(1,3-benzodioxol-4-yl)piperazine (98224-27-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / Ni-Ra; hydrazine monohydrate / methanol / 0 °C

2: chlorobenzene / 24 h / Heating

With hydrazine hydrate; In methanol; chlorobenzene;

DOI:10.1021/jm0111200

Reference yield:

benzo[d][1,3]dioxol-4-amine (1668-84-4) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 1-(1,3-benzodioxol-4-yl)piperazine (98224-27-2)

Guidance literature:

In chlorobenzene; for 24h; Heating;

DOI:10.1021/jm0111200

upstream raw materials:

benzo[d][1,3]dioxol-4-amine

bis-(2-chloroethyl)amine hydrochloride

3-nitrobenzene-1,2-diol

4-nitro-(1,3-benzodioxolyl)

Refernces